trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide

C22H29N5O — CID 92583674

IUPACtrans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1nc(N2CCC(NC(=O)[C@@H]3C[C@H]3C)CC2)ncc1-c1ccncc1
InChIInChI=1S/C22H29N5O/c1-14(2)20-19(16-4-8-23-9-5-16)13-24-22(26-20)27-10-6-17(7-11-27)25-21(28)18-12-15(18)3/h4-5,8-9,13-15,17-18H,6-7,10-12H2,1-3H3,(H,25,28)/t15-,18-/m1/s1
InChIKeyFDKOWGLQPYEUJA-CRAIPNDOSA-N
MW379.51 g/mol
LogP3.40
Rot. Bonds5

About trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 92583674) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID92583674
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Nametrans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1nc(N2CCC(NC(=O)[C@@H]3C[C@H]3C)CC2)ncc1-c1ccncc1
InChIInChI=1S/C22H29N5O/c1-14(2)20-19(16-4-8-23-9-5-16)13-24-22(26-20)27-10-6-17(7-11-27)25-21(28)18-12-15(18)3/h4-5,8-9,13-15,17-18H,6-7,10-12H2,1-3H3,(H,25,28)/t15-,18-/m1/s1
InChIKeyFDKOWGLQPYEUJA-CRAIPNDOSA-N
XLogP3.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 92580651
(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide
CID 92580652
cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 92554368
N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 46955605
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63713938
1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 46960984
N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide
CID 46955599
cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
CID 92579284
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide (CID 92583674) is trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide is CC(C)c1nc(N2CCC(NC(=O)[C@@H]3C[C@H]3C)CC2)ncc1-c1ccncc1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is FDKOWGLQPYEUJA-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H29N5O/c1-14(2)20-19(16-4-8-23-9-5-16)13-24-22(26-20)27-10-6-17(7-11-27)25-21(28)18-12-15(18)3/h4-5,8-9,13-15,17-18H,6-7,10-12H2,1-3H3,(H,25,28)/t15-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 92583674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).